SCHEMBL163549

SCHEMBL163549

CC(C)CNC(=O)c1c[nH]c([O])n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MLYCD O95822 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C19 P33261 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL165610 0.81 CNR1 (0.40) HPGDNPC1KMT2AGAAHSD17B10
SCHEMBL1081537 0.80 RAB9A (0.42) RAB9AHPGDSMN1; SMN2NPC1ALDH1A1
SCHEMBL160288 0.79 NPC1 (0.43) RAB9AHPGDSMN1; SMN2NPC1ALDH1A1
SCHEMBL165207 0.78 NPC1 (0.40) RAB9AHPGDSMN1; SMN2NPC1ALDH1A1
SCHEMBL163376 0.77 JAK2 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL160350 0.76 HTT (0.46) RAB9AHPGDSMN1; SMN2NPC1KMT2A
SCHEMBL1078869 0.76 HPGD (0.41) RAB9AHPGDSMN1; SMN2NPC1ALDH1A1
SCHEMBL162365 0.75 CREBBP (0.39) RAB9AHPGDNPC1ALDH1A1KMT2A
SCHEMBL165034 0.74 KMT2A (0.42) RAB9AHPGDSMN1; SMN2NPC1ALDH1A1
SCHEMBL159632 0.73 RAB9A (0.47) RAB9AHPGDSMN1; SMN2NPC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 RAB9A 3460/4885HPGD 2718/4885SMN1; SMN2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.